SCHEMBL30452737

SCHEMBL30452737

Cc1c(-c2cccc(Cl)c2)cnc(C#N)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
CNR1 P21554 2/20 0.42
SQOR Q9Y6N5 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PTGER1 P34995 4/20 0.38
CYP2C9 P11712 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24257771 1.00 GRM5 (0.42) GRM5CNR1SQORFNTAFNTB
SCHEMBL24257768 0.89 SQOR (0.42) CNR1SQORADORA2AADORA1GABRG2
SCHEMBL30546869 0.87 C5AR1 (0.41) SQORADORA2AADORA1GABRG2GABRB3
SCHEMBL24257769 0.87 C5AR1 (0.41) SQORADORA2AADORA1GABRG2GABRB3
SCHEMBL24257562 0.86 MAOB (0.47) SQORADORA2AADORA1HPGDCYP2C9
SCHEMBL30546831 0.86 MAOB (0.47) SQORADORA2AADORA1HPGDCYP2C9
SCHEMBL24257522 0.86 SQOR (0.40) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL30452556 0.84 CNR1 (0.40) GRM5CNR1SQORFNTAFNTB
SCHEMBL24257707 0.84 CNR1 (0.40) GRM5CNR1SQORFNTAFNTB
SCHEMBL24257819 0.83 HSD17B10 (0.43) CNR1SQORADORA2AADORA1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed